5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine

C16H10ClFN4 — CID 166043252

IUPAC5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
SMILESFc1cccc(Cl)c1C1=Nc2ccccc2-c2[nH]ncc2N1
InChIInChI=1S/C16H10ClFN4/c17-10-5-3-6-11(18)14(10)16-20-12-7-2-1-4-9(12)15-13(21-16)8-19-22-15/h1-8H,(H,19,22)(H,20,21)
InChIKeyOXIQEWVUVRGDCH-UHFFFAOYSA-N
MW312.74 g/mol
LogP4.37
Rot. Bonds1

About 5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine

5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine (PubChem CID 166043252) has the molecular formula C16H10ClFN4 and a molecular weight of 312.74 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
PubChem CID166043252
Molecular FormulaC16H10ClFN4
Molecular Weight312.74 g/mol
Exact Mass312.06
IUPAC Name5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
SMILESFc1cccc(Cl)c1C1=Nc2ccccc2-c2[nH]ncc2N1
InChIInChI=1S/C16H10ClFN4/c17-10-5-3-6-11(18)14(10)16-20-12-7-2-1-4-9(12)15-13(21-16)8-19-22-15/h1-8H,(H,19,22)(H,20,21)
InChIKeyOXIQEWVUVRGDCH-UHFFFAOYSA-N
XLogP4.37
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-chlorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209912
5-(2-Chlorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002545
7-Chloro-5-(2-fluorophenyl)-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine
CID 136002540
5-(2-Chlorophenyl)-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepin-7-amine
CID 136002661
7-Chloro-5-phenyl-2,10-dihydrobenzo[e]pyrazolo[4,3-b][1,4]diazepine
CID 136002668
7-Chloro-5-(2-chlorophenyl)-1,10-dihydropyrazolo[5,4-b][1,4]benzodiazepine
CID 136002669
7-chloro-N-methyl-5-(1H-pyrazol-4-yl)-3H-1,4-benzodiazepin-2-amine
CID 135521878
5-[1-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1,4-dihydropyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 68468301
N-[(2-chloro-6-fluorophenyl)methyl]-2,3,4-trifluoro-6-(1H-pyrazol-5-yl)aniline
CID 141734809
[5-(4-chloro-2,6-difluorophenyl)-6-propyl-1H-pyrazolo[4,5-d][1,3]diazepin-8-yl]methanimine
CID 163302534
9-Chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
CID 166043204
5-[2-(Trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
CID 166043206

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine (CID 166043252) is 5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine is Fc1cccc(Cl)c1C1=Nc2ccccc2-c2[nH]ncc2N1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The InChIKey is OXIQEWVUVRGDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4/c17-10-5-3-6-11(18)14(10)16-20-12-7-2-1-4-9(12)15-13(21-16)8-19-22-15/h1-8H,(H,19,22)(H,20,21).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine has a molecular weight of 312.74 g/mol, XLogP of 4.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine is sourced from PubChem (CID 166043252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).